Re: [OpenBabel-Devel] aromaticity detection problems in charged heterocycles (e.g. pyridinium)

2012-10-02 Thread Paolo Tosco
Dear Reinis and dear all, actually the aromaticity detection problem is only raised when dealing with charged heterocyclic systems with formats which do not support explicit formal charges (e.g., MOL2), while there are no problems with SDF and MOL files. I was initially misled about this and I

Re: [OpenBabel-Devel] Getting 2.3.2 out the door

2012-10-02 Thread Noel O'Boyle
On 1 October 2012 21:32, Geoffrey Hutchison geo...@pitt.edu wrote: I've merged in basically everything in trunk to the 2.3 branch. There are some depiction fixes and the ASCII painter that Noel committed remaining, as far as I can tell. Noel, please either merge these to the branch yourself,

Re: [OpenBabel-Devel] Getting 2.3.2 out the door

2012-10-02 Thread Igor Filippov [Contr]
Has the static compilation for InChI plugin been fixed? That was the only remaining showstopper for static libopenbabel as far as I know. Igor On 10/1/2012 4:32 PM, Geoffrey Hutchison wrote: I've merged in basically everything in trunk to the 2.3 branch. There are some depiction fixes and